General Information of the Compound
| Compound ID |
CP0082132
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-Chloro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClNO
|
||||||||||||||||||
| Molecular Weight |
311.812
|
||||||||||||||||||
| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(Cl)cc-34)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClNO/c1-11-9-19(2,3)21-16-6-5-13-14-8-12(20)4-7-17(14)22-10-15(13)18(11)16/h4-9,21H,10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZULQASDNRKTNT-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01172, Progesterone receptor